Geometry & MOs

Info

ID:	132484
PubChem CID:	51368791
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	455.185649
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	4.36
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=N1)C2=CC=C(C=C2)F)CC(=O)NC3=CC=CC(=C3)C#N)CCO

DOS

IR

Vibrations